2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone

C17H21NO — CID 114097308

IUPAC2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
SMILESCCc1ccc(CC(=O)C2C3C4CCC(C4)C23)nc1
InChIInChI=1S/C17H21NO/c1-2-10-3-6-13(18-9-10)8-14(19)17-15-11-4-5-12(7-11)16(15)17/h3,6,9,11-12,15-17H,2,4-5,7-8H2,1H3
InChIKeyZQLRJGSMRIQULB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone (PubChem CID 114097308) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
PubChem CID114097308
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
SMILESCCc1ccc(CC(=O)C2C3C4CCC(C4)C23)nc1
InChIInChI=1S/C17H21NO/c1-2-10-3-6-13(18-9-10)8-14(19)17-15-11-4-5-12(7-11)16(15)17/h3,6,9,11-12,15-17H,2,4-5,7-8H2,1H3
InChIKeyZQLRJGSMRIQULB-UHFFFAOYSA-N
XLogP3.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
CID 79745576
2-(5-ethyl-2-pyridinyl)-1-(thian-2-yl)ethanone
CID 80621591
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-(5-ethyl-2-pyridinyl)-3-piperidin-4-yloxypropan-2-one
CID 116570986
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116600244

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone (CID 114097308) is 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone is CCc1ccc(CC(=O)C2C3C4CCC(C4)C23)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
The InChIKey is ZQLRJGSMRIQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-10-3-6-13(18-9-10)8-14(19)17-15-11-4-5-12(7-11)16(15)17/h3,6,9,11-12,15-17H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone is sourced from PubChem (CID 114097308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).